Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98c3ee2016bc9b9cb86e4194e988f9c0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.683,
"b": 88.818,
"c": 89.121,
"alpha": 90.00,
"beta": 111.38,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100,2.200],
"number_observations_unique": 49257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 18.490
},
{
"type": "Completeness",
"value": 99.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.200],
"number_observations": 64556,
"number_observations_unique": 6155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "R(meas)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.400,2.300],
"number_observations": 53792,
"number_observations_unique": 5113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.500,2.400],
"number_observations": 45684,
"number_observations_unique": 4327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations": 149009,
"number_observations_unique": 14124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.500,3.000],
"number_observations": 75850,
"number_observations_unique": 7192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 23.8
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 42067,
"number_observations_unique": 4021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 32.5
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.500,4.000],
"number_observations": 26007,
"number_observations_unique": 2482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 37.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.000,4.500],
"number_observations": 16313,
"number_observations_unique": 1554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 39.5
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 18734,
"number_observations_unique": 1796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 35.4
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 19964,
"number_observations_unique": 1944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 37.0
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [100,10.000],
"number_observations": 5251,
"number_observations_unique": 549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 47.0
},
{
"type": "Completeness",
"value": 98.900
}
]
}
]
}